Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 652.6 BDBM50006335

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50006335 (15-Benzyl-6-carboxymethyl-12-(3-guanidino-propyl)-...) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CS(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O Show InChI InChI=1S/C26H36N8O10S/c27-26(28)29-8-4-7-15-22(39)30-11-19(35)31-17(10-21(37)38)24(41)34-18(25(42)43)12-45(44)13-20(36)32-16(23(40)33-15)9-14-5-2-1-3-6-14/h1-3,5-6,15-18H,4,7-13H2,(H,30,39)(H,31,35)(H,32,36)(H,33,40)(H,34,41)(H,37,38)(H,42,43)(H4,27,28,29)/t15-,16-,17-,18-,45?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description The compound was tested for the inhibition of fibrinogen receptor				J Med Chem 35: 2040-8 (1992) BindingDB Entry DOI: 10.7270/Q2S1833Q
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50006335 (15-Benzyl-6-carboxymethyl-12-(3-guanidino-propyl)-...) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CS(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O Show InChI InChI=1S/C26H36N8O10S/c27-26(28)29-8-4-7-15-22(39)30-11-19(35)31-17(10-21(37)38)24(41)34-18(25(42)43)12-45(44)13-20(36)32-16(23(40)33-15)9-14-5-2-1-3-6-14/h1-3,5-6,15-18H,4,7-13H2,(H,30,39)(H,31,35)(H,32,36)(H,33,40)(H,34,41)(H,37,38)(H,42,43)(H4,27,28,29)/t15-,16-,17-,18-,45?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of Fibrinogen binding to Fibrinogen receptor				J Med Chem 35: 2040-8 (1992) BindingDB Entry DOI: 10.7270/Q2S1833Q
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50006335 (15-Benzyl-6-carboxymethyl-12-(3-guanidino-propyl)-...) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CS(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O Show InChI InChI=1S/C26H36N8O10S/c27-26(28)29-8-4-7-15-22(39)30-11-19(35)31-17(10-21(37)38)24(41)34-18(25(42)43)12-45(44)13-20(36)32-16(23(40)33-15)9-14-5-2-1-3-6-14/h1-3,5-6,15-18H,4,7-13H2,(H,30,39)(H,31,35)(H,32,36)(H,33,40)(H,34,41)(H,37,38)(H,42,43)(H4,27,28,29)/t15-,16-,17-,18-,45?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description The compound was tested for the inhibition of fibrinogen receptor				J Med Chem 35: 2040-8 (1992) BindingDB Entry DOI: 10.7270/Q2S1833Q
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50006335 (15-Benzyl-6-carboxymethyl-12-(3-guanidino-propyl)-...) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CS(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O Show InChI InChI=1S/C26H36N8O10S/c27-26(28)29-8-4-7-15-22(39)30-11-19(35)31-17(10-21(37)38)24(41)34-18(25(42)43)12-45(44)13-20(36)32-16(23(40)33-15)9-14-5-2-1-3-6-14/h1-3,5-6,15-18H,4,7-13H2,(H,30,39)(H,31,35)(H,32,36)(H,33,40)(H,34,41)(H,37,38)(H,42,43)(H4,27,28,29)/t15-,16-,17-,18-,45?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description The compound was tested for the inhibition of fibrinogen receptor				J Med Chem 35: 2040-8 (1992) BindingDB Entry DOI: 10.7270/Q2S1833Q
					More data for this Ligand-Target Pair